N-[(3-bromocyclopentyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

C11H14BrN3O2 — CID 106128896

IUPACN-[(3-bromocyclopentyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCC1CCC(Br)C1)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H14BrN3O2/c12-8-2-1-7(5-8)6-13-11(17)9-3-4-10(16)15-14-9/h3-4,7-8H,1-2,5-6H2,(H,13,17)(H,15,16)
InChIKeyMHDYPNBWVLDEIU-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.06
Rot. Bonds3

About N-[(3-bromocyclopentyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(3-bromocyclopentyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 106128896) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID106128896
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC NameN-[(3-bromocyclopentyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCC1CCC(Br)C1)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H14BrN3O2/c12-8-2-1-7(5-8)6-13-11(17)9-3-4-10(16)15-14-9/h3-4,7-8H,1-2,5-6H2,(H,13,17)(H,15,16)
InChIKeyMHDYPNBWVLDEIU-UHFFFAOYSA-N
XLogP1.06
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 37204583
N-(3-cyclopentylpropyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 38335123
N-(cyclopentylmethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 45812669
N-(2-ethylhexyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 46550329
N-(cyclopentylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
CID 47478040
N-(4-methylhexan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103708355
N-(2-cyclobutylethyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103747326
N-[2-(2-bromoethyl)pentyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 106118091
N-(4-bromopentyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 106131416
N-[(3-bromocyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 106133164
N-(5-bromo-4-methylpentyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 106157962
N-(2-bromo-3-ethylpentyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 106288537

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 106128896) is N-[(3-bromocyclopentyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NCC1CCC(Br)C1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is MHDYPNBWVLDEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c12-8-2-1-7(5-8)6-13-11(17)9-3-4-10(16)15-14-9/h3-4,7-8H,1-2,5-6H2,(H,13,17)(H,15,16).
What are the key properties of N-[(3-bromocyclopentyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(3-bromocyclopentyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 300.16 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 106128896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).